Antioxidant activity of fraxetin and its regeneration in aqueous media. A density functional theory studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c4ra08394f

• Main Authors: Medina, M. E, Iuga, C, Álvarez-Idaboy, J. R
• Format: Journal Article
• Language: English
• Published: 21.10.2014

In this work, we have carried out a quantum chemistry and computational kinetics study on the reactivity of fraxetin towards two peroxyl free radicals (&z.rad;OOH and &z.rad;OOCH 3 ), in aqueous and lipid simulated biological environments. We have considered three reaction mechanisms: hydrog...